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1H-Isoindole-1,3(2H)-dione, 2-[4-[(5,6-dihydro-2H-thiopyran-3-yl)methyl]-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-

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1H-Isoindole-1,3(2H)-dione, 2-[4-[(5,6-dihydro-2H-thiopyran-3-yl)methyl]-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-
SpectraBase Compound ID 1no910dyBUy
InChI InChI=1S/C22H22N2O4S/c25-20-12-28-19-8-7-15(10-18(19)23(20)11-14-4-3-9-29-13-14)24-21(26)16-5-1-2-6-17(16)22(24)27/h4,7-8,10H,1-3,5-6,9,11-13H2
InChIKey WUGMGTRFZGWEAE-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2ntuQncbPtv
Name 1H-Isoindole-1,3(2H)-dione, 2-[4-[(5,6-dihydro-2H-thiopyran-3-yl)methyl]-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-
CAS Registry Number 132058-27-6
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c25-20-12-28-19-8-7-15(10-18(19)23(20)11-14-4-3-9-29-13-14)24-21(26)16-5-1-2-6-17(16)22(24)27/h4,7-8,10H,1-3,5-6,9,11-13H2
InChIKey WUGMGTRFZGWEAE-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Synonyms 2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione derivative 2H-Thiopyran, 1H-isoindole-1,3(2H)-dione derivative
Technique KBr-Pellet